8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide

C21H15ClN4O — CID 90178363

IUPAC8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc2cncc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C21H15ClN4O/c22-18-4-2-1-3-16(18)17-13-24-12-15-5-6-19(26-20(15)17)21(27)25-11-14-7-9-23-10-8-14/h1-10,12-13H,11H2,(H,25,27)
InChIKeyTURCZCFQNLKBIA-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.28
Rot. Bonds4

About 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide

8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 90178363) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
PubChem CID90178363
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc2cncc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C21H15ClN4O/c22-18-4-2-1-3-16(18)17-13-24-12-15-5-6-19(26-20(15)17)21(27)25-11-14-7-9-23-10-8-14/h1-10,12-13H,11H2,(H,25,27)
InChIKeyTURCZCFQNLKBIA-UHFFFAOYSA-N
XLogP4.28
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 4162089
8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 75204137
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 159045768
6-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098377
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889
8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 90178110
6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098333
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094786

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide (CID 90178363) is 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide is O=C(NCc1ccncc1)c1ccc2cncc(-c3ccccc3Cl)c2n1.
What is the InChIKey of 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is TURCZCFQNLKBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-18-4-2-1-3-16(18)17-13-24-12-15-5-6-19(26-20(15)17)21(27)25-11-14-7-9-23-10-8-14/h1-10,12-13H,11H2,(H,25,27).
What are the key properties of 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide?
8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 90178363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).